2-azanyl-4-(1,3-benzodioxol-5-ylmethylamino)-6-(furan-2-yl)pyrimidine-5-carbonitrile

Systemtic Name: 2-azanyl-4-(1,3-benzodioxol-5-ylmethylamino)-6-(furan-2-yl)pyrimidine-5-carbonitrile Openeye Name: 2-amino-4-(1,3-benzodioxol-5-ylmethylamino)-6-(2-furyl)pyrimidine-5-carbonitrile CAS Name: 2-amino-4-(1,3-benzodioxol-5-ylmethylamino)-6-(2-furanyl)-5-pyrimidinecarbonitrile IUPAC Name: 2-amino-4-(1,3-benzodioxol-5-ylmethylamino)-6-(furan-2-yl)pyrimidine-5-carbonitrile Traditional Name: 2-amino-4-(2-furyl)-6-(piperonylamino)pyrimidine-5-carbonitrile Formula: C17H13N5O3 MolecularWeight: 335.31682

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=NC(=NC(=C3C#N)C4=CC=CO4)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=NC(=NC(=C3C#N)C4=CC=CO4)N

InChI

InChI=1S/C17H13N5O3/c18-7-11-15(13-2-1-5-23-13)21-17(19)22-16(11)20-8-10-3-4-12-14(6-10)25-9-24-12/h1-6H,8-9H2,(H3,19,20,21,22)